ethyl N-[6-[6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate

Systemtic Name: ethyl N-[6-[6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate Openeye Name: ethyl N-[6-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-3-pyridyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[6-[(4-cyclopropyl-1-piperazinyl)methyl]-3-pyridinyl]-4-(2-pyrimidinyl)-1H-benzimidazol-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[6-[6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-[6-[(4-cyclopropylpiperazino)methyl]-3-pyridyl]-4-(2-pyrimidyl)-1H-benzimidazol-2-yl]carbamic acid ethyl ester Formula: C27H30N8O2 MolecularWeight: 498.5795

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=C(C=C3)CN4CCN(CC4)C5CC5)C6=NC=CC=N6

Isomeric SMILES

CCOC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=C(C=C3)CN4CCN(CC4)C5CC5)C6=NC=CC=N6

InChI

InChI=1S/C27H30N8O2/c1-2-37-27(36)33-26-31-23-15-19(14-22(24(23)32-26)25-28-8-3-9-29-25)18-4-5-20(30-16-18)17-34-10-12-35(13-11-34)21-6-7-21/h3-5,8-9,14-16,21H,2,6-7,10-13,17H2,1H3,(H2,31,32,33,36)